2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine

C15H20N4O2 — CID 107041315

IUPAC2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine
SMILESCn1cc(COc2ccc3c(c2)OC(C)(C)CC3N)nn1
InChIInChI=1S/C15H20N4O2/c1-15(2)7-13(16)12-5-4-11(6-14(12)21-15)20-9-10-8-19(3)18-17-10/h4-6,8,13H,7,9,16H2,1-3H3
InChIKeyXTEBVFFCOSEHHZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds3

About 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine

2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine (PubChem CID 107041315) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine
PubChem CID107041315
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine
SMILESCn1cc(COc2ccc3c(c2)OC(C)(C)CC3N)nn1
InChIInChI=1S/C15H20N4O2/c1-15(2)7-13(16)12-5-4-11(6-14(12)21-15)20-9-10-8-19(3)18-17-10/h4-6,8,13H,7,9,16H2,1-3H3
InChIKeyXTEBVFFCOSEHHZ-UHFFFAOYSA-N
XLogP1.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine
CID 64553531
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine
CID 68595948
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107041423
7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 65365060
3-[3-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051745
2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol
CID 62385148

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine (CID 107041315) is 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine is Cn1cc(COc2ccc3c(c2)OC(C)(C)CC3N)nn1.
What is the InChIKey of 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine?
The InChIKey is XTEBVFFCOSEHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2)7-13(16)12-5-4-11(6-14(12)21-15)20-9-10-8-19(3)18-17-10/h4-6,8,13H,7,9,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine?
2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine has a molecular weight of 288.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 107041315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).